The site effect on PAHs formation in HACA-based mass growth process
Abstract Hydrogen-abstraction/acetylene-addition (HACA) pathway has long been
postulated as the dominant pathway for the formation of polycyclic aromatic hydrocarbons …
postulated as the dominant pathway for the formation of polycyclic aromatic hydrocarbons …
On the low-temperature limit of HACA
Rates of two mechanisms, hydrogen abstraction C 2 H 2 (carbon) addition (HACA) and C 2
H 2 (carbon) addition hydrogen migration (CAHM), were intercompared with each other at …
H 2 (carbon) addition hydrogen migration (CAHM), were intercompared with each other at …
[HTML][HTML] A comprehensive kinetic framework for solid carbon deposition and hydrogen production from the pyrolysis of light hydrocarbons streams
Thermal pyrolysis of hydrocarbons is a promising solution for the industrial production of
hydrogen and valuable carbon materials. Pyrolysis reactor design and scale up strongly …
hydrogen and valuable carbon materials. Pyrolysis reactor design and scale up strongly …
Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: a systematic theoretical investigation
Mono-aromatic hydrocarbons (MAHs) are key components in surrogate fuels formulation (eg
toluene), as well as the initial building blocks of PAHs growth (eg benzene). Moreover, the …
toluene), as well as the initial building blocks of PAHs growth (eg benzene). Moreover, the …
Chemistry of polycyclic aromatic hydrocarbons formation from phenyl radical pyrolysis and reaction of phenyl and acetylene
A Comandini, T Malewicki… - The Journal of Physical …, 2012 - ACS Publications
An experimental investigation of phenyl radical pyrolysis and the phenyl radical+ acetylene
reaction has been performed to clarify the role of different reaction mechanisms involved in …
reaction has been performed to clarify the role of different reaction mechanisms involved in …
Experimental and theoretical investigation of the self-reaction of phenyl radicals
A combination of experiment and theory is applied to the self-reaction kinetics of phenyl
radicals. The dissociation of phenyl iodide is observed with both time-of-flight mass …
radicals. The dissociation of phenyl iodide is observed with both time-of-flight mass …
Rate constants for H abstraction from benzo (a) pyrene and chrysene: a theoretical study
AS Semenikhin, AS Savchenkova… - Physical Chemistry …, 2017 - pubs.rsc.org
Density functional B3LYP/6-31G (d) and ab initio G3 (MP2, CC) calculations have been
carried out to determine thermal rate constants of direct H abstraction reactions from four …
carried out to determine thermal rate constants of direct H abstraction reactions from four …
Investigation of methylcyclopentadiene reactivity: Abstraction reactions and methylcyclopentadienyl radical unimolecular decomposition
Understanding the reactivities of methylcyclopentadiene and the methylcyclopentadienyl
radical is important in order to improve our comprehension of the chemical kinetics leading …
radical is important in order to improve our comprehension of the chemical kinetics leading …
Novel Products from C6H5 + C6H6/C6H5 Reactions
To date only one product, biphenyl, has been reported to be produced from C6H5+
C6H6/C6H5 reactions. In this study, we have investigated some unique products of C6H5+ …
C6H6/C6H5 reactions. In this study, we have investigated some unique products of C6H5+ …
A detailed kinetic modeling study of benzene oxidation and combustion in premixed flames and ideal reactors
The pyrolysis and oxidation of benzene occupies a critical role in the combustion chemistry
of practical fuels. Despite numerous experimental and numerical investigations …
of practical fuels. Despite numerous experimental and numerical investigations …